4465-2469 Screening compound: benzyl 4-[2-(2-{[(tert-butoxy)carbonyl]amino}-3-methylpentanamido)-4-methylpentanamido]-4-carbamoylbutanoate

4465-2469 Screening compound: benzyl 4-[2-(2-{[(tert-butoxy)carbonyl]amino}-3-methylpentanamido)-4-methylpentanamido]-4-carbamoylbutanoate
4465-2469 Screening compound: benzyl 4-[2-(2-{[(tert-butoxy)carbonyl]amino}-3-methylpentanamido)-4-methylpentanamido]-4-carbamoylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4465-2469
benzyl 4-[2-(2-{[(tert-butoxy)carbonyl]amino}-3-methylpentanamido)-4-methylpentanamido]-4-carbamoylbutanoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4465-2469

Molecular Formula

C29H46N4O7 (C29 H46 N4 O7)

Compound Name

benzyl 4-[2-(2-{[(tert-butoxy)carbonyl]amino}-3-methylpentanamido)-4-methylpentanamido]-4-carbamoylbutanoate

IUPAC name

benzyl 4-[2-(2-{[(tert-butoxy)carbonyl]amino}-3-methylpentanamido)-4-methylpentanamido]-4-carbamoylbutanoate

SMILES

CCC(C)C(C(NC(CC(C)C)C(NC(CCC(OCc1ccccc1)=O)C(N)=O)=O)=O)NC(OC(C)(C)C)=O

InChI

InChI=1S/C29H46N4O7/c1-8-19(4)24(33-28(38)40-29(5,6)7)27(37)32-22(16-18(2)3)26(36)31-21(25(30)35)14-15-23(34)39-17-20-12-10-9-11-13-20/h9-13,18-19,21-22,24H,8,14-17H2,1-7H3,(H2,30,35)(H,31,36)(H,32,37)(H,33,38)

InChI Key

SDXUJJFTUZRCOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02766825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.71

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

21.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.903

Distribution Coefficient, logD

4.903

Water Solubility, LogSw

-4.89

Polar Surface Area

134.690

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

62.10

4465-2469 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4465-2469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4465-2469?
Check Price and Availability of 4465-2469, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4465-2469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4465-2469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4465-2469
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4465-2469 available by request